Chemical ID: 6166411

c1cc(c(c(c1)Cl)CN(CC(=O)O)S(=O)(=O)c2ccc(cc2)Cl)F
Chemical ID:
6166411
Name [?]:
2-[(2-chloro-6-fluoro-phenyl)methyl-(4-chlorophenyl)sulfonyl-amino]acetic acid
SMILES [?]:
c1cc(c(c(c1)Cl)CN(CC(=O)O)S(=O)(=O)c2ccc(cc2)Cl)F
InChi [?]:
InChI=1/C15H12Cl2FNO4S/c16-10-4-6-11(7-5-10)24(22,23)19(9-15(20)21)8-12-13(17)2-1-3-14(12)18/h1-7H,8-9H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,6,2,19,21,18,22,8,10,20,17,4,5,3,11,23,7,24,9,12,13,15,16,14/E:(4,5)(6,7)(20,21)(22,23)/CRV:24.6/rA:24cCCCCCCClCNCCOOSOOCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;d11;s11;s9;d14;d14;s14;s17;d18;s19;d20;d17s21;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12Cl2FNO4S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.63064
Area:513.822
Solvation:-4.21489
Coulombic:-38.9056
Bond Count [?]
All:25
Single:16
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:392.23
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.61
LogP (Chemaxon):3.67

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue